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51.
In this paper, we construct an integrator that converves volume in phase space. We compare the results obtained using this method and a symplectic integrator. The results of our experiments do not reveal any superiority of the symplectic over strictly volume-preserving integrators. We also investigate the effect of numerically conserving energy in a numerical process by rescaling velocities to keep energy constant at every step. Our results for Henon-Heiles problem show that keeping energy constant in this way destroys ergodicity and forces the solution onto a periodic orbit. 相似文献
52.
Presented by R. Freese. 相似文献
53.
Daniel Okunbor 《Physica D: Nonlinear Phenomena》1992,60(1-4):314-322
A Hamiltonian system possesses dynamics (e.g. preservation of volume in phase space and symplectic structure) that call for special numerical integrators, namely canonical methods. Recent research on this aspect have shown that canonical numerical integrators may be needed for Hamiltonian systems. In this paper, we focus on numerical experiments that compare canonical and non-canonical numerical integrators. Test problems are taken from different areas in physical sciences. These experiments help to buttress the claims that canonical numerical integrators give results that mimic the qualitative behavior of the original system and that canonical numerical integrators are suitable for long time integrations. Our experiments indicate that higher-order canonical methods allow for larger timestep than lower-order canonical methods. 相似文献
54.
The difference in reactivity of the two modifications of InCl in solid state reactions with SnCl2 is discussed. It is explained on the basis of semi‐empirical and ab initio calculations giving the density of states diagrams of InCl and the energies of possible disproportionation reactions. Their general features are discussed on the basis of a simple bonding picture for open‐packed structures involving inert pair elements. A detailed analysis of the DOS distribution allows to pinpoint the observed redox instability to a specific structural feature of α‐InCl. 相似文献
55.
Block-diagonalization of sparse equivariant discretization matrices is studied. Such matrices typically arise when partial
differential equations that evolve in symmetric geometries are discretized via the finite element method or via finite differences.
By considering sparse equivariant matrices as equivariant graphs, we identify a condition for when block-diagonalization via
a sparse variant of a generalized Fourier transform (GFT) becomes particularly simple and fast.
Characterizations for finite element triangulations of a symmetric domain are given, and formulas for assembling the block-diagonalized
matrix directly are presented. It is emphasized that the GFT preserves symmetric (Hermitian) properties of an equivariant
matrix.
By simulating the heat equation at the surface of a sphere discretized by an icosahedral grid, it is demonstrated that the
block-diagonalization is beneficial. The gain is significant for a direct method, and modest for an iterative method.
A comparison with a block-diagonalization approach based upon the continuous formulation is made. It is found that the sparse
GFT method is an appropriate way to discretize the resulting continuous subsystems, since the spectrum and the symmetry are
preserved.
AMS subject classification (2000) 43A30, 65T99, 20B25 相似文献
56.
57.
58.
The anti-Parkinson’s agent SIB-1508Y was prepared in six steps from (S)-nicotine in 20% overall yield. The strategy involves a regioselective formylation at C-5 of a 1,4-dihydronicotine intermediate. 相似文献
59.
Daniel Wasserfallen 《Tetrahedron》2006,62(23):5417-5420
By using drastic conditions for a Diels-Alder cycloaddition reaction, it was possible to synthesize an oligophenylene with an extremely dense packing of the benzene rings. Crystallographic data could be obtained and a projection of the structure on the plane of the central phenyl ring reveals that the molecule retained its theoretical threefold symmetry with only minor deviations. Due to its dense packing of interlocked benzene rings, this oligophenylene could be furthermore used as a suitable precursor for constructing a subunit of ‘cubic graphite’. 相似文献
60.
Ignacio Moreno Pablo Velásquez Daniel Puerto Asticio Vargas 《Optics Communications》2006,260(1):12-18
In this work, we show a very simple birefringent filter useful to modulate a broadband light spectrum. We first show the generation of various oscillating spectra using two identical multiple-order waveplates. In particular a sinusoidal broadband spectrum with a rapid oscillation is obtained. This spectrum is amplitude modulated by adding another waveplate to the system. This waveplate has a small phase shift, and with the proper orientation generates amplitude beats on the broadband spectrum. Finally, we show how this system can be voltage controlled by means of a ferroelectric liquid crystal modulator. We experimentally demonstrate this behavior with the aid of a portable spectrophotometer, and we provide a theoretical explanation on the basis of the Jones matrix formalism. 相似文献